N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

C11H12N2O2S2 — CID 24578110

IUPACN-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2S2/c1-2-13(11-12-8-9-16-11)17(14,15)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyYTAVTSZECRROGB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.36
Rot. Bonds4

About N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 24578110) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID24578110
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC NameN-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2S2/c1-2-13(11-12-8-9-16-11)17(14,15)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyYTAVTSZECRROGB-UHFFFAOYSA-N
XLogP2.36
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 24578110) is N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is YTAVTSZECRROGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-2-13(11-12-8-9-16-11)17(14,15)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 268.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 24578110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).